1QOS
lectin UEA-II complexed with chitobiose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X11 |
Temperature [K] | 287 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 106.030, 106.030, 87.020 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.950 |
R-factor | 0.189 |
Rwork | 0.189 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | UEA-II COMPLEXED WITH NAG (1QOO) |
RMSD bond length | 0.008 |
RMSD bond angle | 28.896 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.8) |
Refinement software | X-PLOR (3.8) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 3.080 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.135 | 0.550 |
Total number of observations | 47378 * | |
Number of reflections | 12117 | 1200 * |
<I/σ(I)> | 10.18 | 3.24 |
Completeness [%] | 98.2 | 99.1 |
Redundancy | 3.91 | 4.02 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6.5 | Dao-Thi M.H., (1998) Acta Crystallog. sect., D54, 844. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 2.0-5.0 (mg/ml) | |
2 | 1 | reservoir | cacodylate | 100 (mM) | or MES |
3 | 1 | reservoir | PEG6000 | 8-16 (%(w/v)) |